Carbonodithioic acid, O-(3-methylbutyl) ester

Toxicity to reproduction

Administrative data

Endpoint:

toxicity to reproduction

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

3 (not reliable)

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Data source

Reference

Reference 1

Reference Type:

publication

Title:

QSARs for predicting effects relating to reproductive toxicity.

Author:

Cronin M.T.D. et all,

Year:

2008

Bibliographic source:

QSAR & Combinational Science 27: 91-100

Reference 2

Reference Type:

publication

Title:

A conceptual framework for predicting toxicity of reactive chemicals: Model for soft electrophilicity.

Author:

Schultz T.W. et all

Year:

2006

Bibliographic source:

SAR QSAR in Environmental research 17:413-428

Reference 3

Reference Type:

publication

Title:

Predicting Chemical Toxicity and Fate.

Author:

Tong W. et all,

Year:

2004

Bibliographic source:

CRC Press Boca Raton FL pp 285-314

Materials and methods

Test guideline

Guideline:

other:

Principles of method if other than guideline:

QSAR Toolbox Version 2.2

Test material

Test material information

Constituent 1

Reference substance name:

Sodium O-ethyl dithiocarbonate

EC Number:

205-440-9

EC Name:

Sodium O-ethyl dithiocarbonate

Cas Number:

140-90-9

IUPAC Name:

sodium O-ethyl dithiocarbonate

Constituent 2

Reference substance name:

Sodium ethyl xanthate

IUPAC Name:

Sodium ethyl xanthate

Constituent 3

Reference substance name:

Potassium O-ethyl dithiocarbonate

EC Number:

205-439-3

EC Name:

Potassium O-ethyl dithiocarbonate

Cas Number:

140-89-6

IUPAC Name:

potassium O-ethyl dithiocarbonate

Constituent 4

Reference substance name:

Potassium ethyl xanthate

IUPAC Name:

Potassium ethyl xanthate

Constituent 5

Reference substance name:

Proxan-sodium

EC Number:

205-443-5

EC Name:

Proxan-sodium

Cas Number:

140-93-2

IUPAC Name:

sodium O-isopropyl dithiocarbonate

Constituent 6

Reference substance name:

Sodium isopropyl xanthate

IUPAC Name:

Sodium isopropyl xanthate

Constituent 7

Reference substance name:

Proxan-potassium

EC Number:

205-441-4

EC Name:

Proxan-potassium

Cas Number:

140-92-1

IUPAC Name:

O-isopropyl hydrogen dithiocarbonate

Constituent 8

Reference substance name:

Potassium isopropyl xanthate

IUPAC Name:

Potassium isopropyl xanthate

Constituent 9

Reference substance name:

Sodium O-isobutyl dithiocarbonate

EC Number:

246-805-2

EC Name:

Sodium O-isobutyl dithiocarbonate

Cas Number:

25306-75-6

IUPAC Name:

sodium O-isobutyl dithiocarbonate

Constituent 10

Reference substance name:

Potassium O-isobutyl dithiocarbonate

EC Number:

235-837-2

EC Name:

Potassium O-isobutyl dithiocarbonate

Cas Number:

13001-46-2

IUPAC Name:

potassium O-isobutyl dithiocarbonate

Results and discussion

Results: P0 (first parental generation)

Effect levels (P0)

Dose descriptor:

other:

Basis for effect level:

other: see 'Remark'

Remarks on result:

not measured/tested

Remarks:

Effect level not specified Generation not specified (migrated information)

Overall reproductive toxicity

Reproductive effects observed:

not specified

Any other information on results incl. tables

DNA binding by OASIS: NO binding

DNA binding by OECD: NO binding

Estrogen Receptor Binding: NON binder: due to non-cyclic molecular structure and MW=<500

Remarks: Chemicals that have a molecular weight (MW) of less than 500, but do not possess a cyclic structure are reported to non binder to the receptor

Applicant's summary and conclusion

Conclusions:

DNA binding by OASIS: NO binding
DNA binding by OECD: NO binding
Estrogen Receptor Binding: NON binder: due to non-cyclic molecular structure and MW=<500
Remarks: Chemicals that have a molecular weight (MW) of less than 500, but do not possess a cyclic structure are reported to non binder to the receptor